AlSbO3
AlSbO3 is a metastable, wide-gap insulating oxide belonging to the spinel-related family of materials.
About AlSbO3
AlSbO3 is a complex oxide compound categorized within the spinel oxide catalyst family. As a wide-gap insulator, it exhibits distinct electronic characteristics that differentiate it from more conductive metallic oxides, making it a subject of interest for specialized catalytic research and structural investigations.
Despite its metastable nature, the compound has been identified across multiple structural databases, highlighting its significance in the exploration of non-traditional oxide phases. Its unique composition of aluminum, antimony, and oxygen allows researchers to probe the stability limits of spinel-related architectures in high-performance material applications.
Key Properties
Cross-validated computational properties for AlSbO3, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of AlSbO3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for AlSbO3, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| — | — | 2.80 | 0.0194 | -2.403 | — |
| P21 (No. 4) | monoclinic | 3.91 | 0.0619 | -7.071 | 4.02 |
| — | — | 1.29 | 0.1406 | -2.282 | — |
| — | — | 2.25 | 0.2001 | -2.222 | — |
| — | — | 1.91 | 0.2275 | -2.195 | — |
| Pm-3m (No. 221) | cubic | 1.56 | 0.2676 | -2.113 | — |
| — | — | 1.42 | 0.3125 | -2.110 | — |
| — | — | 1.26 | 0.3129 | -2.109 | — |
| Pm-3m (No. 221) | cubic | 1.13 | 0.3196 | -6.813 | 6.18 |
| Pnma (No. 62) | orthorhombic | 0.32 | 0.3399 | -6.793 | 5.04 |
| P63cm (No. 185) | hexagonal | 1.25 | 0.4061 | -6.727 | 5.36 |
| P63cm (No. 185) | hexagonal | 1.30 | 0.4115 | -1.969 | — |
Applications
Where AlSbO3 is used.
Frequently Asked Questions
Common questions about AlSbO3, answered from cross-validated data.
What is AlSbO3?
AlSbO3 is a metastable, wide-gap insulating oxide belonging to the spinel-related family of materials.
What is AlSbO3 used for?
What is the band gap of AlSbO3?
Is AlSbO3 a metal, semiconductor, or insulator?
Is AlSbO3 thermodynamically stable?
What is the crystal structure of AlSbO3?
What is the density of AlSbO3?
How many polymorphs of AlSbO3 are known?
What elements does AlSbO3 contain?
Where does the data for AlSbO3 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse group of spinel and perovskite-related oxides like MgAl2O4, Al2O3, and LaAlO3, AlSbO3 stands out as a metastable phase that offers a different structural pathway compared to the highly stable and common aluminates. While materials like ZnO or CuO are frequently utilized for their well-defined semiconducting or catalytic properties, AlSbO3 serves as a specialized candidate for exploring electronic insulation and structural diversity within the broader oxide catalyst class.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze AlSbO3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →